4-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline

C15H26N2O — CID 55236806

IUPAC4-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline
SMILESCCC(N)Cc1ccc(N(CC)CCOC)cc1
InChIInChI=1S/C15H26N2O/c1-4-14(16)12-13-6-8-15(9-7-13)17(5-2)10-11-18-3/h6-9,14H,4-5,10-12,16H2,1-3H3
InChIKeyZODRSBUZDODDGN-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.44
Rot. Bonds8

About 4-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline

4-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline (PubChem CID 55236806) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline
PubChem CID55236806
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline
SMILESCCC(N)Cc1ccc(N(CC)CCOC)cc1
InChIInChI=1S/C15H26N2O/c1-4-14(16)12-13-6-8-15(9-7-13)17(5-2)10-11-18-3/h6-9,14H,4-5,10-12,16H2,1-3H3
InChIKeyZODRSBUZDODDGN-UHFFFAOYSA-N
XLogP2.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminobutyl)-N-ethyl-N-propylaniline
CID 55237765
2-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 55236804
2-[4-(2-aminobutyl)-N-(2-hydroxyethyl)anilino]ethanol
CID 170889215
N'-[4-(2-aminobutyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 63794361
4-(2-aminobutyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 63815303
N-ethyl-N-(2-methoxyethyl)-4-(4-methoxyphenoxy)aniline
CID 134547003
4-[(1R)-1-aminoethyl]-N,N-bis(2-methoxyethyl)aniline
CID 55189419
5-(2-aminobutyl)-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine
CID 80635154
4-(2-aminopropyl)-N-butyl-N-ethylaniline
CID 63786093
1-[4-[ethyl(2-methoxyethyl)amino]phenyl]ethanone
CID 61446564
2-(2-aminobutyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
CID 63817422
2-(2-aminobutyl)-5-chloro-N,N-bis(2-methoxyethyl)aniline
CID 114861459

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline?
The IUPAC name of 4-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline (CID 55236806) is 4-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 4-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline?
The canonical SMILES for 4-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline is CCC(N)Cc1ccc(N(CC)CCOC)cc1.
What is the InChIKey of 4-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline?
The InChIKey is ZODRSBUZDODDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-14(16)12-13-6-8-15(9-7-13)17(5-2)10-11-18-3/h6-9,14H,4-5,10-12,16H2,1-3H3.
What are the key properties of 4-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline?
4-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline has a molecular weight of 250.39 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline is sourced from PubChem (CID 55236806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).